HMDB0253783 RDKit 3D Ketanserin 51 54 0 0 0 0 0 0 0 0999 V2000 4.5892 -0.5196 -2.1383 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 -0.1452 -0.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1898 -0.2058 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8399 0.2582 1.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7291 0.1903 2.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9659 -0.3496 2.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9029 -0.4579 3.1851 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3172 -0.8139 0.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4537 -0.7599 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8455 0.3405 -0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1702 0.3780 -2.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6743 0.2788 -2.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2198 -0.7989 -1.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9644 -0.5437 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1732 -0.4252 -1.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3793 -0.1687 -0.6793 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1227 -1.2095 -0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7109 -2.3714 -0.5018 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2520 -0.9851 0.4709 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 0.2511 0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8481 0.5001 1.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2606 1.7890 1.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5143 2.8465 1.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3619 2.6050 0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9573 1.3191 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8067 1.0826 -0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0763 2.0234 -0.8393 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2223 -1.4941 -0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1395 -0.5658 0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8841 0.6923 1.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4882 0.5474 3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2945 -1.2437 0.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7095 -1.1208 -1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9062 1.3463 -0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 1.3579 -2.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5687 -0.4027 -2.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2244 1.2178 -1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2774 0.1241 -3.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1627 -1.4146 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9306 0.3734 0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2639 -1.3092 -2.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9774 0.4701 -2.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8042 -1.8149 0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4330 -0.3523 1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1809 1.9778 2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7846 3.8762 1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 3.4302 0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8448 -2.1661 -1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7224 -2.1303 0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9068 -1.2302 0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6644 -0.0071 0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 2 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 13 28 1 0 28 29 1 0 9 3 1 0 29 10 1 0 26 16 1 0 25 20 1 0 4 30 1 0 5 31 1 0 8 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 19 43 1 0 21 44 1 0 22 45 1 0 23 46 1 0 24 47 1 0 28 48 1 0 28 49 1 0 29 50 1 0 29 51 1 0 M END